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CAS 345-22-2 Benzene, 1-fluoro-2,4-dimethyl-5-nitro- molecular structure lightbox
CAS RN: 345-22-2

Benzene, 1-fluoro-2,4-dimethyl-5-nitro-

  • Product code: SSC-140975
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g, 5g, 10g, 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 345-22-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Shanghai Inquiry
0.1g ≥97% 2 In Stock Shenzhen Inquiry
0.25g ≥97% 2 In Stock Shanghai Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry
10g ≥97% 0 Out of Stock Hong Kong Inquiry
25g ≥97% 0 Out of Stock Hong Kong Inquiry

345-22-2 / 1-fluoro-2,4-dimethyl-5-nitrobenzene

Standard CAS: 345-22-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
345-22-2
Multi CAS
No
Molecular Formula
C8FH8NO2
Molecular Weight
169.150000
Exact Mass
169.053907
InChI
InChI=1S/C8H8FNO2/c1-5-3-6(2)8(10(11)12)4-7(5)9/h3-4H,1-2H3
InChIKey
WHXPEFPOIQDRJZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
42.53
TPSA
43.14

LogP / Solubility

WLOGP
2.35
MLOGP
2.06
XLogP3
2.6
Consensus LogP
2.34
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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